[Dock-fans] amberize_receptor problem
Osmany Guirola
osmany_guirola at yahoo.com
Thu Jan 24 05:25:37 PST 2008
Hi
I am having problems trying to run the amberize_receptor script
my PDB receptor has a Calcium ion and the script gave me this error
......
.....
Building topology.
Building atom parameters.
For atom: .R<CA 45>.A<CA 1> Could not find type: Ca
Parameter file was not saved.
Quit
i check the log file and the script loads the ions library
Loading library: /home/osmany/progs/dock6/parameters/leap/lib/ions94.lib
Loading: CA
Loading: CIO
Loading: Cl-
Loading: Cs+
Loading: IB
Loading: K+
Loading: Li+
Loading: MG
Loading: MG2
Loading: Na+
Loading: Rb+
Loading: ZN
What can i do?
Thanks
Osmany
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